1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, calcium salt (2:1)
CAS Registry Number®
34428-50-7
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CAS Name
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, calcium salt (2:1)Molecular Formula
C7H8N4O2.1/2CaCite this Page
1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, calcium salt (2:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=34428-50-7 (retrieved ) (CAS RN: 34428-50-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C7H8N4O2.Ca/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;/h3H,1-2H3,(H,9,12,13);
InChIKey
InChIKey=ZRMDPUXBTGYVAR-UHFFFAOYSA-N
SMILES
CN1C2=C(C(=O)NC1=O)N(C)C=N2.[Ca]
Canonical SMILES
[Ca].O=C1NC(=O)N(C=2N=CN(C12)C)C
Other Names for this Substance
- 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-, calcium salt (2:1)
- Theobromine, calcium salt (2:1)